Molecule Details
| InChIKey | PFNFFQXMRSDOHW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Spermine |
| Canonical SMILES | NCCCNCCCCNCCCN |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.4 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00127 |
|---|---|
| Drug Name | Spermine |
| CAS Number | 71-44-3 |
| Groups | investigational nutraceutical |
| ATC Codes | nan |
| Description | Spermine is a spermidine-derived biogenic polyamine found as a polycation at all pH values. Found in various tissues and organisms, it often acts as an essential growth factor in some bacterial species. Spermine is associated with nucleic acids, particularly in viruses, and is thought to stabilize t... |
Categories: Amines Biogenic Amines Biogenic Polyamines Dietary Supplements OCT1 substrates Polyamines Supplements
Cross-references: BindingDB: 79403 ChEBI: 15746 CHEMBL23194 ChemSpider: 1072 Guide to Pharmacology: 710 IUPHAR: 710 C00750 PDB: SPM PharmGKB: PA164781199 PubChem:1103 PubChem:46507215 RxCUI: 1483263 Wikipedia: Spermine ZINC: ZINC000001532734
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P47989 | XDH | Xanthine dehydrogenase/oxidase | inhibitor | enzymes |
| P21673 | P21673 | Diamine acetyltransferase 1 | substrate | enzymes |
| Q96F10 | Q96F10 | Thialysine N-epsilon-acetyltransferase | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | binder | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | binder | targets |
| P41180 | CASR | Extracellular calcium-sensing receptor | binder | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| Q05586 | GRIN1 | Glutamate receptor ionotropic, NMDA 1 | inhibitor | targets |
| Q12879 | GRIN2A | Glutamate receptor ionotropic, NMDA 2A | inhibitor | targets |
| Q16790 | CA9 | Carbonic anhydrase 9 | inhibitor | targets |
| Q9ULX7 | CA14 | Carbonic anhydrase 14 | inhibitor | targets |
| P52788 | SMS | Spermine synthase | ligand | targets |
| Q9NWM0 | SMOX | Spermine oxidase | ligand | targets |
| P11926 | P11926 | Ornithine decarboxylase | product of | targets |
| Q9H015 | Q9H015 | Solute carrier family 22 member 4 | inhibitor | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |